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Information card for entry 2009063
Preview
| Coordinates | 2009063.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C26 H29 N O4 |
|---|---|
| Calculated formula | C26 H29 N O4 |
| SMILES | CCOC(=O)C(=C\C#CC(C)(C)C)/N(C(=O)OCc1ccccc1)Cc1ccccc1 |
| Title of publication | Ethyl (<i>E</i>)-2-[benzyl(benzyloxycarbonyl)amino]-6,6-dimethylhept-2-en-4-ynoate |
| Authors of publication | Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | IUC9900118 |
| a | 9.314 ± 0.001 Å |
| b | 12.084 ± 0.001 Å |
| c | 12.583 ± 0.001 Å |
| α | 112.804 ± 0.001° |
| β | 108.744 ± 0.001° |
| γ | 92.976 ± 0.001° |
| Cell volume | 1210.76 ± 0.19 Å3 |
| Cell temperature | 291 ± 1 K |
| Ambient diffraction temperature | 291 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.142 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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